1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one profile

1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one: structure given in first source; inhibits guanylyl cyclase [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one : A member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	1456
CHEMBL ID	598952
CHEBI ID	91215
SCHEMBL ID	210817
MeSH ID	M0250951

Synonym
HMS3266N10
BRD-K26015241-001-01-0
EU-0100953
1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one, powder
lopac-o-3636
NCGC00015770-01
tocris-0880
NCGC00024841-01
LOPAC0_000953
1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one (9ci)
odq ,
41443-28-1
1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
NCGC00024841-03
NCGC00024841-02
[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
1h-odq
1-h-[1,2,4]oxadiazolo-[4,3,2]quinoxalin-1-ine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
NCGC00015770-03
O 3636
NCGC00015770-05
1h-[1,2,4]oxadiazolo[4,3-a]-quinoxalin-1-one
CHEMBL598952
A7039
HMS3262P08
O0400
CCG-205034
S9796
NCGC00015770-04
NCGC00015770-02
FT-0673321
LP00953
gtpl5234
SCHEMBL210817
tox21_500953
NCGC00261638-01
CHEBI:91215
(3-methylbiphenyl-4-yl)amine
1h-(1,2,4)oxadiazolo-(4,3,a)quinoxalin-1-one
3-methyl(1,1'-biphenyl)-4-amine
S57V2NMV38 ,
(1,1'-biphenyl)-4-amine, 3-methyl-
HB2900
AC-26876
AKOS024458675
HMS3649K18
mfcd00792620
DTXSID2036796
unii-s57v2nmv38
CS-0021047
HY-101255
P16885
sr-01000075519
SR-01000075519-1
SR-01000075519-3
AS-53689
1h-[1,2,4]oxadiazole[4,3-a]quinoxalin-1-one
BCP06748
HMS3675B16
Q27088147
SR-01000075519-6
HMS3411B16
SDCCGSBI-0050927.P002
EX-A3500
NCGC00015770-10

Role	Description
EC 4.6.1.2 (guanylate cyclase) inhibitor	An EC 4.6.* (P-O lyase) inhibitor that interferes with the action of enzyme guanylate cyclase (EC 4.6.1.2).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
oxadiazoloquinoxaline	An organic heterotricyclic compound that consists of an oxadiazole ring ortho-fused at any position to a quinoxaline ring system.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	39.8107	0.0032	45.4673	12,589.2998	AID1705
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	2.7830	0.0040	23.8416	100.0000	AID485290
Chain A, HADH2 protein	Homo sapiens (human)	Potency	25.5648	0.0251	20.2376	39.8107	AID886; AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	25.5648	0.0251	20.2376	39.8107	AID886; AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	28.1838	0.1778	14.3909	39.8107	AID2147
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	39.8107	5.6234	17.2929	31.6228	AID2323
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	26.4076	0.1000	20.8793	79.4328	AID488772; AID588456
USP1 protein, partial	Homo sapiens (human)	Potency	3.3587	0.0316	37.5844	354.8130	AID504865
NFKB1 protein, partial	Homo sapiens (human)	Potency	5.6234	0.0282	7.0559	15.8489	AID895; AID928
GLS protein	Homo sapiens (human)	Potency	7.0795	0.3548	7.9355	39.8107	AID624146
TDP1 protein	Homo sapiens (human)	Potency	15.0624	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	14.1254	0.1800	13.5574	39.8107	AID1460
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	19.6221	0.0112	12.4002	100.0000	AID1030
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)	Homo sapiens (human)	Potency	12.5893	0.0013	7.7625	44.6684	AID914; AID915
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	18.8336	0.0015	30.6073	15,848.9004	AID1224821
arylsulfatase A	Homo sapiens (human)	Potency	37.9330	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	3.5481	0.0355	20.9770	89.1251	AID504332
polyunsaturated fatty acid lipoxygenase ALOX12	Homo sapiens (human)	Potency	8.9125	1.0000	12.2326	31.6228	AID1452
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	39.8107	0.0063	6.9043	39.8107	AID883
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	30.3001	0.0018	15.6638	39.8107	AID894
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	89.1251	0.3548	28.0659	89.1251	AID504847
chromobox protein homolog 1	Homo sapiens (human)	Potency	0.0053	0.0060	26.1688	89.1251	AID488953
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	15.8489	0.0398	16.7842	39.8107	AID995
histone-lysine N-methyltransferase 2A isoform 2 precursor	Homo sapiens (human)	Potency	28.1838	0.0103	23.8567	63.0957	AID2662
geminin	Homo sapiens (human)	Potency	26.9188	0.0046	11.3741	33.4983	AID463097; AID504364
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	22.3872	0.1259	12.2344	35.4813	AID1458
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	10.0000	0.0316	10.2792	39.8107	AID884; AID885
M-phase phosphoprotein 8	Homo sapiens (human)	Potency	44.6684	0.1778	24.7352	79.4328	AID488949
DNA dC->dU-editing enzyme APOBEC-3G isoform 1	Homo sapiens (human)	Potency	23.7150	0.0580	10.6949	26.6086	AID588379
muscarinic acetylcholine receptor M1	Rattus norvegicus (Norway rat)	Potency	0.0355	0.0010	6.0009	35.4813	AID943
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	7.9433	0.0200	10.7869	31.6228	AID912
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	39.8107	0.0063	8.2350	39.8107	AID883
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	10.0000	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	21.3313	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID524794	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID459737	Inhibition of soluble guanylyl cyclase in rat aortic smooth muscle cells assessed as inhibition of SNP-stimulated cGMP formation by immunoassay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Synthesis and biological evaluation of oxadiazole derivatives as inhibitors of soluble guanylyl cyclase.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID513573	Induction of S-nitrosylation of TRPC5 in HEK cells assessed as increase in Ca2+ level from extracellular space at 10 uM	2006	Nature chemical biology, Nov, Volume: 2, Issue:11	Nitric oxide activates TRP channels by cysteine S-nitrosylation.
AID459739	Inhibition of soluble guanylyl cyclase in rat aortic smooth muscle cells assessed as inhibition of SNP-stimulated cGMP formation at 10 uM by immunoassay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Synthesis and biological evaluation of oxadiazole derivatives as inhibitors of soluble guanylyl cyclase.
AID524795	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID459738	Inhibition of soluble guanylyl cyclase in rat aortic smooth muscle cells assessed as inhibition of SNP-stimulated cGMP formation at 0.1 uM by immunoassay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Synthesis and biological evaluation of oxadiazole derivatives as inhibitors of soluble guanylyl cyclase.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	135 (17.49)	18.2507
2000's	496 (64.25)	29.6817
2010's	130 (16.84)	24.3611
2020's	11 (1.42)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	3 (0.38%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	790 (99.62%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
dithionitrobenzoic acid	[no description available]	medium	2	nitrobenzoic acid; organic disulfide	indicator
acetylcysteine	[no description available]	medium	6	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
2,2'-dithiobis(5-nitropyridine)	[no description available]	medium	1
ng-nitroarginine methyl ester	[no description available]	medium	220	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
4,4'-dipyridyl disulfide	[no description available]	medium	1	organic disulfide; pyridines
(2-(trimethylammonium)ethyl)methanethiosulfonate	[no description available]	medium	1
fk 409	[no description available]	medium	9
s-nitroso-n-acetylpenicillamine	[no description available]	medium	42	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	3
ascorbic acid	[no description available]	medium	6	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
gamma-aminobutyric acid	[no description available]	medium	8	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	3	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	2	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	2	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	3	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	2	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	3	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	4	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	1	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	6	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	2
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1
ibotenic acid	[no description available]	medium	1	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1
sk&f-38393	[no description available]	medium	2	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	2
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	4	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1
1,5-dihydroxyisoquinoline	[no description available]	medium	1	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	2	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	3	imidazoles
1-aminobenzotriazole	[no description available]	medium	2
1-methylimidazole	[no description available]	medium	1	imidazoles
edelfosine	[no description available]	medium	1	glycerophosphocholine
2,2'-dipyridyl	[no description available]	medium	2	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	2	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	3
enprofylline	[no description available]	medium	1	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	1	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	2	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	16	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	3	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	2	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	2	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	2	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	2	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	2	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	2	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	acetamides
6-hydroxymelatonin	[no description available]	medium	1	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1
6-nitroso-1,2-benzopyrone	[no description available]	medium	2
7-chlorokynurenic acid	[no description available]	medium	1	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	25
8-(4-sulfophenyl)theophylline	[no description available]	medium	3
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	oxopurine
8-phenyltheophylline	[no description available]	medium	3
acetazolamide	[no description available]	medium	2	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	2	nitrophenol
rtki cpd	[no description available]	medium	2	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	2	catechols
tyrphostin 25	[no description available]	medium	2	benzenetriol
tyrphostin a1	[no description available]	medium	1	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1
albuterol	[no description available]	medium	2	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1
altretamine	[no description available]	medium	1	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1
amifostine anhydrous	[no description available]	medium	1	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	5	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amoxapine	[no description available]	medium	2	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1
aspirin	[no description available]	medium	4	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	2	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	2	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	5	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	benzamides
bepridil	[no description available]	medium	1	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	2	N-acylindole
brimonidine	[no description available]	medium	2	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	1	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	7	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carbamazepine	[no description available]	medium	1	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	1	benzenes
carisoprodol	[no description available]	medium	1	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	2	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	2	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	2	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	2	quinolines
cilostazol	[no description available]	medium	2	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	3	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	2	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	4	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1
cyclothiazide	[no description available]	medium	1	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	2
nonivamide	[no description available]	medium	1	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	2	diarylmethane
diazoxide	[no description available]	medium	5	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid	[no description available]	medium	1	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	3	organic cation
dipyridamole	[no description available]	medium	4	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	2	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	3
thiorphan	[no description available]	medium	1	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	2	1,4-naphthoquinones
domperidone	[no description available]	medium	2	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	2	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	2	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	2	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	2	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	1	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	1	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	2	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	2	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	2	diarylmethane
flutamide	[no description available]	medium	3	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	2	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	2	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	oxopurine
furosemide	[no description available]	medium	2	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	2	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1
glipizide	[no description available]	medium	1	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	48	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	isoquinolines
haloperidol	[no description available]	medium	2	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1
hydrochlorothiazide	[no description available]	medium	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	3	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	pyrazolopyridine
ibuprofen	[no description available]	medium	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	2	indoles
ifenprodil	[no description available]	medium	1	piperidines
indirubin-3'-monoxime	[no description available]	medium	2
indomethacin	[no description available]	medium	41	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iodoacetamide	[no description available]	medium	1
1-methyl-3-isobutylxanthine	[no description available]	medium	27	3-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid	[no description available]	medium	2
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1
jl 18	[no description available]	medium	2
nsc 664704	[no description available]	medium	2	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	2	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	1	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	1	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	2	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	2	indoles
loratadine	[no description available]	medium	2	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	2	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	organic sodium salt
methiothepin	[no description available]	medium	3	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	3	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	2	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	7	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	1	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	diarylmethane
mitoxantrone	[no description available]	medium	2	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	2	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	2	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1
ethylmaleimide	[no description available]	medium	3	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	2	beta-carbolines
fenamic acid	[no description available]	medium	2	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	2
nialamide	[no description available]	medium	2	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	2	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine	[no description available]	medium	15	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	3	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	3	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	3	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	2	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	2	nitrobenzoic acid
ns 2028	[no description available]	medium	5
ns 1619	[no description available]	medium	4	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1
ofloxacin	[no description available]	medium	2	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	2	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	2	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	2	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	1	phenylalanine derivative
palmidrol	[no description available]	medium	2	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	11	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	2	oxopurine
perphenazine	[no description available]	medium	2	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	2	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	2	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	2	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	2	benzamides
pinacidil	[no description available]	medium	8	pyridines
pindolol	[no description available]	medium	2	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1
piracetam	[no description available]	medium	1	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	2	aromatic ketone
praziquantel	[no description available]	medium	2	isoquinolines
primidone	[no description available]	medium	1	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	2	oxopurine
propofol	[no description available]	medium	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	2	quinolines
riluzole	[no description available]	medium	2	benzothiazoles
risperidone	[no description available]	medium	2	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	2	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	2	methoxybenzenes
rolipram	[no description available]	medium	4	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	2	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	organic molecular entity
spiroxatrine	[no description available]	medium	2	imidazolidines
sq 22536	[no description available]	medium	1	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	1	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	3	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1
terfenadine	[no description available]	medium	2	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	2	phosphoramide
thalidomide	[no description available]	medium	1	phthalimides; piperidones
theobromine	[no description available]	medium	1	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	2	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	5	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1
ici 136,753	[no description available]	medium	2	pyrazolopyridine
triamterene	[no description available]	medium	2	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	2	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	acetamides
tyrphostin a9	[no description available]	medium	2	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	1	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	2
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	28	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	corticosteroid hormone
corticosterone	[no description available]	medium	2	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	medium	2	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride	[no description available]	medium	1	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	2	catechols
histamine dihydrochloride	[no description available]	medium	1
carbachol	[no description available]	medium	25	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	2	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	2	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	3	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	2	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	1	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	4	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	1	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	2
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	3
hexamethonium bromide	[no description available]	medium	1
cystamine dihydrochloride	[no description available]	medium	1
cantharidin	[no description available]	medium	2	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	2	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	2	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vincristine	[no description available]	medium	1	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	2	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	1	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	2	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	2	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	2	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	2
bretylium tosylate	[no description available]	medium	2	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	3	quaternary ammonium salt
androstenedione	[no description available]	medium	2	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	2	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	2
gallamine triethiodide	[no description available]	medium	1
cycloheximide	[no description available]	medium	3	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	4	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	2	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	2
chlorpromazine hydrochloride	[no description available]	medium	2	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1
tryptophan	[no description available]	medium	2	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	78	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	3	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	pyridinium salt
imipramine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	bromide salt
edrophonium chloride	[no description available]	medium	1	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	2	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	2	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	2	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	benzoate ester
chelidamic acid	[no description available]	medium	1
2-chloroadenosine	[no description available]	medium	3	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	2	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1
propantheline bromide	[no description available]	medium	2	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	2
aminophylline	[no description available]	medium	1	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	2	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	2	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	2
cyproterone acetate	[no description available]	medium	2	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	3	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	2	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	2	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	2	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	2	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	2
amitriptyline hydrochloride	[no description available]	medium	2	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	2	organic molecular entity
doxylamine succinate	[no description available]	medium	2	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	organic molecular entity
formestane	[no description available]	medium	2	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1
bethanechol chloride	[no description available]	medium	1	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
Mecamylamine hydrochloride	[no description available]	medium	2	monoterpenoid
vinblastine	[no description available]	medium	1
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	2	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	2	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	1
antazoline hydrochloride	[no description available]	medium	2
doxifluridine	[no description available]	medium	1	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1
clonidine hydrochloride	[no description available]	medium	1	dichlorobenzene
beclomethasone	[no description available]	medium	2	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	3	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	12	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	2
metoclopramide hydrochloride	[no description available]	medium	2
isoetharine mesylate	[no description available]	medium	2
zalcitabine	[no description available]	medium	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	2
camptothecin	[no description available]	medium	2	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nsc-145,668	[no description available]	medium	1	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	2	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	2	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	4	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	2	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	2	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	2	organoammonium phosphate
bromocriptine	[no description available]	medium	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	ergot alkaloid
triamcinolone	[no description available]	medium	1	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	2	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	2	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	2
butaclamol	[no description available]	medium	1	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	2	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	2	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	1	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	1	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	2	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	2	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	2	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	2	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	2
pergolide mesylate	[no description available]	medium	2	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1
colforsin	[no description available]	medium	30	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	1	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	aromatic ketone
atomoxetine	[no description available]	medium	2	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	2	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	2	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1
imazodan	[no description available]	medium	1
mibefradil dihydrochloride	[no description available]	medium	2
aptiganel hydrochloride	[no description available]	medium	2
adenosine	[no description available]	medium	13	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	2	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	2	hydrochloride
bupropion hydrochloride	[no description available]	medium	2	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	2	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	2
doxazosin mesylate	[no description available]	medium	2	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	2	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	1	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	2
dobutamine hydrochloride	[no description available]	medium	2	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	2	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	2	catecholamine
proadifen hydrochloride	[no description available]	medium	2
4-nitrobenzylthioinosine	[no description available]	medium	2	purine nucleoside
metrifudil	[no description available]	medium	1
rutecarpine	[no description available]	medium	2	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	2	aralkylamine
thioridazine hydrochloride	[no description available]	medium	2	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	2	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	2	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	2	hydrochloride
2-methoxyestradiol	[no description available]	medium	2	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	2	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	2
clomipramine hydrochloride	[no description available]	medium	2	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	2	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	2	hydrochloride
mianserin hydrochloride	[no description available]	medium	2	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	2	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	2
nilverm	[no description available]	medium	2	organic molecular entity
sanguinarine chloride	[no description available]	medium	2
ropinirole hydrochloride	[no description available]	medium	2	indoles
plasmenylserine	[no description available]	medium	1	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1
n-acetyltryptamine	[no description available]	medium	1	acetamides; indoles
D-serine	[no description available]	medium	1	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	2	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	2
loxapine succinate	[no description available]	medium	2	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	2	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	hydrochloride
labetalol hydrochloride	[no description available]	medium	2	salicylamides
acecainide hydrochloride	[no description available]	medium	1
loperamide hydrochloride	[no description available]	medium	2	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	2	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1
siguazodan	[no description available]	medium	1	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1
chelerythrine chloride	[no description available]	medium	2
tosyllysine chloromethyl ketone	[no description available]	medium	2
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	2
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	2	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	2
agroclavine	[no description available]	medium	1	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1
p-Aminobenzamidine dihydrochloride	[no description available]	medium	2	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1
ketorolac tromethamine	[no description available]	medium	1	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1
carbetapentane citrate	[no description available]	medium	2	carbonyl compound
phentolamine mesylate	[no description available]	medium	2
mephentermine	[no description available]	medium	2	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	2	hydrochloride
nimustine	[no description available]	medium	1	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	2	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	2	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	2
3-aminopropylphosphonic acid	[no description available]	medium	1	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1
zpck	[no description available]	medium	2
n(6)-phenyladenosine	[no description available]	medium	1	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	2	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	methyladenosine
mizoribine	[no description available]	medium	1	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	2
u 73122	[no description available]	medium	3	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	25	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	2
vanoxerine	[no description available]	medium	2	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	2	beta-carbolines
u 69593	[no description available]	medium	2	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	2
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	2	beta-carbolines
methoctramine	[no description available]	medium	2	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	dicarboxylic acid
gabazine	[no description available]	medium	1
cl 218872	[no description available]	medium	1	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	2	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	1	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	2	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	2	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	capsaicinoid
ml 9	[no description available]	medium	3
parthenolide	[no description available]	medium	2	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	2	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	acetamides
arcaine, sulfate	[no description available]	medium	1
gr 113808	[no description available]	medium	2	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	2
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1
buthionine sulfoximine	[no description available]	medium	2	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	2
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	2	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	methylindole
san 58035	[no description available]	medium	2
nnc 711	[no description available]	medium	1
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	2	diarylmethane
e 64	[no description available]	medium	2	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1
pre 084	[no description available]	medium	2	morpholines
methotrexate	[no description available]	medium	3	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	2
sr 2640	[no description available]	medium	2	quinolines
ici 204448	[no description available]	medium	1
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	2	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	2
l 741626	[no description available]	medium	2	piperidines
nisoxetine hydrochloride	[no description available]	medium	2
ng-nitroarginine methyl ester	[no description available]	medium	1	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1
alpha-guanidinoglutaric acid	[no description available]	medium	1	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	2
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1
nsc-141549	[no description available]	medium	2
2-chloro-2-deoxyglucose	[no description available]	medium	1
idazoxan hydrochloride	[no description available]	medium	2
isoguvacine hydrochloride	[no description available]	medium	1
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	oxopurine
cyc 202	[no description available]	medium	2	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1
ag 3-5	[no description available]	medium	1	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	2
aminopterin	[no description available]	medium	2	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1
abt 980	[no description available]	medium	2
sk&f 75670	[no description available]	medium	2
esatenolol	[no description available]	medium	1	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	2	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	2	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	atenolol
memantine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1
pongidae	[no description available]	medium	2
succinylproline	[no description available]	medium	1	N-acyl-amino acid
sb 205384	[no description available]	medium	2	thienopyridine
hydrastine	[no description available]	medium	2	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1
etiron monohydrobromide	[no description available]	medium	1
bmy 7378	[no description available]	medium	1
vesamicol	[no description available]	medium	1
cortisone	[no description available]	medium	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	2	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1
nsc 95397	[no description available]	medium	2	1,4-naphthoquinones
wortmannin	[no description available]	medium	7	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	2	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	15	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	95	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	2	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	2	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	2	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	2	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1
Dubinidine	[no description available]	medium	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	1	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	peptide
hydroxylamine hydrochloride	[no description available]	medium	2	organic molecular entity
sb 228357	[no description available]	medium	2	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	2
vinpocetine	[no description available]	medium	2	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	2	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	2	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	5	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	1	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	11	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	2	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	2	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
L-cycloserine	[no description available]	medium	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1
purvalanol a	[no description available]	medium	1	purvalanol
melphalan	[no description available]	medium	2	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	3	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	2	benzamides
calmidazolium	[no description available]	medium	2	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	2
Reactive blue 2	[no description available]	medium	1	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	dichlorobenzene
quinidine sulfate	[no description available]	medium	2
ipratropium bromide anhydrous	[no description available]	medium	1
methamilane methiodide	[no description available]	medium	1
pilocarpine nitrate	[no description available]	medium	1
r 59949	[no description available]	medium	2	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	4
methylatropine nitrate	[no description available]	medium	1
sb 366791	[no description available]	medium	2
ag-213	[no description available]	medium	2
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	2	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	2
(S)-(-)-pindolol	[no description available]	medium	1	pindolol
levosulpiride	[no description available]	medium	1	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	1	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	2	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	urocanic acid	human metabolite
cotinine	[no description available]	medium	2	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	2	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	hydrochloride
tacrine hydrochloride	[no description available]	medium	2
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	2
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	2
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	2
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1
capsazepine	[no description available]	medium	2	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	2	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1
tamoxifen citrate	[no description available]	medium	2	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1
Betaine Aldehyde Chloride	[no description available]	medium	1	quaternary ammonium salt
eskazine	[no description available]	medium	2
monastrol	[no description available]	medium	1	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	2	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	2	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	2
bp 897	[no description available]	medium	2	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	2
neboglamine	[no description available]	medium	1
benzatropine methanesulfonate	[no description available]	medium	2
sb 203186	[no description available]	medium	1	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	2	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	2	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	2
cgp 13501	[no description available]	medium	1	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	2
brl 15572	[no description available]	medium	2	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	2
or486	[no description available]	medium	1
fg 9041	[no description available]	medium	3	quinoxaline derivative
iik7	[no description available]	medium	1
sb 415286	[no description available]	medium	2	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	2
jhw 015	[no description available]	medium	2	indolecarboxamide
bw 723c86	[no description available]	medium	2	tryptamines
sc 560	[no description available]	medium	2	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	aromatic ether
le 300	[no description available]	medium	2	indoles
ly 367265	[no description available]	medium	2	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	organic sodium salt
cgp 7930	[no description available]	medium	2	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	2	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	2
sphingosine	[no description available]	medium	2	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	2	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	2	hydroxycoumarin
genistein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	2	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	2	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	2	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	organic molecular entity
clemastine fumarate	[no description available]	medium	2	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	2	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	2	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	1	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	2	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	2	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	2	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	2	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	2	organic molecular entity
tranilast	[no description available]	medium	2	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	2	maleate salt	antidepressant
isotretinoin	[no description available]	medium	2	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	2
flunarizine hydrochloride	[no description available]	medium	2	diarylmethane
ketotifen fumarate	[no description available]	medium	2	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	2	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	2	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	2	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	2	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	2	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	hydrochloride
mepyramine maleate	[no description available]	medium	2
brefeldin a	[no description available]	medium	2	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	2	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	2	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1
4-aminocrotonic acid	[no description available]	medium	1
denopamine	[no description available]	medium	1	dimethoxybenzene
l 655,708	[no description available]	medium	2
ro 41-1049	[no description available]	medium	1
sb 200646a	[no description available]	medium	2
seglitide	[no description available]	medium	1
sib 1893	[no description available]	medium	1
su 6656	[no description available]	medium	2
tyrphostin ag 555	[no description available]	medium	2
tyrphostin ag-494	[no description available]	medium	1
tyrphostin b44	[no description available]	medium	2
ag-490	[no description available]	medium	2	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	2
ag 183	[no description available]	medium	2
semaxinib	[no description available]	medium	2	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	2	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	2	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	2
nalbuphine hydrochloride	[no description available]	medium	2	hydrochloride
isoalloxazine	[no description available]	medium	1	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	2
n-methylscopolamine bromide	[no description available]	medium	1
dextromethorphan hydrobromide	[no description available]	medium	2	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	2	sesquiterpenoid
sulindac sulfone	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	2	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	2	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	2	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	2	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	benzamides
quipazine maleate	[no description available]	medium	2
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1
tulobuterol hydrochloride	[no description available]	medium	2	organic molecular entity
hp 029	[no description available]	medium	2
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	2	naphthalenes
nf023	[no description available]	medium	1
nf 449	[no description available]	medium	2
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	2
gr 46611	[no description available]	medium	1
diacetylmonoxime	[no description available]	medium	2
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	2
vancomycin hydrochloride	[no description available]	medium	1
moxisylyte hydrochloride	[no description available]	medium	1	monoterpenoid
dizocilpine maleate	[no description available]	medium	8	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1
flupirtine	[no description available]	medium	2
zimelidine hydrochloride	[no description available]	medium	2
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	2
su 4312	[no description available]	medium	2
gw 1929	[no description available]	medium	2	benzophenones
protriptyline hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	2
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1
cb 34	[no description available]	medium	1
b 43	[no description available]	medium	2	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	2	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1
gw2974	[no description available]	medium	1	pyridopyrimidine
l 162313	[no description available]	medium	2
l-165041	[no description available]	medium	1	aromatic ketone
mrs 1754	[no description available]	medium	1	oxopurine
pd 404182	[no description available]	medium	1
sb 222200	[no description available]	medium	2	quinolines
dantrolene sodium	[no description available]	medium	2
cr 2945	[no description available]	medium	2
sb 218795	[no description available]	medium	2	quinolines
dihydroceramide	[no description available]	medium	1	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	2
bicuculline methobromide	[no description available]	medium	2
butylscopolammonium bromide	[no description available]	medium	1
butaclamol hydrochloride	[no description available]	medium	2
a 38503	[no description available]	medium	2
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1
sk&f 89976-a	[no description available]	medium	1
cv 1808	[no description available]	medium	2	purine nucleoside
fluvoxamine maleate	[no description available]	medium	2	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	2
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1
(R)-fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1
t 1032	[no description available]	medium	3
qx-314 bromide	[no description available]	medium	1
(S)-fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	3
u 74389g	[no description available]	medium	2
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	2
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1
noscapine hydrochloride	[no description available]	medium	2
a 77636	[no description available]	medium	2	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	2
levodopa methyl ester hydrochloride	[no description available]	medium	2
benalfocin hydrochloride	[no description available]	medium	1
lu 19005	[no description available]	medium	2
benoxathian hydrochloride	[no description available]	medium	2
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	2
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1
cefotaxime sodium	[no description available]	medium	1	organic sodium salt
calpain inhibitor iii	[no description available]	medium	2
GR 127935 hydrochloride	[no description available]	medium	2	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	2
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	2
alaproclate hydrochloride	[no description available]	medium	2
ubenimex	[no description available]	medium	2	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1
dsp 4 hydrochloride	[no description available]	medium	2
calcimycin	[no description available]	medium	5	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	2	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	2
cirazoline monohydrochloride	[no description available]	medium	2
adtn	[no description available]	medium	2
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	2
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	indoles
lilly 78335	[no description available]	medium	2
efaroxan hydrochloride	[no description available]	medium	2
fenoldopam hydrobromide	[no description available]	medium	2
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	2	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	2
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	2	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	2	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	2
4-methylpyrazole monohydrochloride	[no description available]	medium	1
tele-methylhistamine	[no description available]	medium	1
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	2
octoclothepine maleate	[no description available]	medium	2
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	2
du 24565	[no description available]	medium	2
2-methoxyidazoxan hydrochloride	[no description available]	medium	2
ro 25-6981	[no description available]	medium	2
sk&f 77434	[no description available]	medium	2	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	2	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	2
atropine sulfate	[no description available]	medium	2
1-deoxynojirimycin hydrochloride	[no description available]	medium	1
win 62577	[no description available]	medium	2
quinine sulfate	[no description available]	medium	2	hydrate
quercetin	[no description available]	medium	2
rv 538, (r-(r,r))-isomer	[no description available]	medium	2
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	2
valproate sodium	[no description available]	medium	1	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1
taurocholic acid, monosodium salt	[no description available]	medium	2	bile salt
cefmetazole sodium	[no description available]	medium	1	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	2
cephapirin sodium	[no description available]	medium	1	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	organic sodium salt
cefazolin sodium	[no description available]	medium	2	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1
ro13-9904	[no description available]	medium	1
phenytoin sodium	[no description available]	medium	1
cr 1409	[no description available]	medium	1
cortisol succinate, sodium salt	[no description available]	medium	3	organic molecular entity
piroxicam	[no description available]	medium	2	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	quinolines
hispidin	[no description available]	medium	2	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	2
demeclocycline hydrochloride	[no description available]	medium	2
acyclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	2	sepiapterin
isoxanthopterin	[no description available]	medium	1	dihydroxypteridine
clozapine	[no description available]	medium	2	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
ganciclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	30	triazolopyrimidines
allopurinol	[no description available]	medium	3	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1
2,4-diaminohypoxanthine	[no description available]	medium	1	hydroxypyrimidine
quazinone	[no description available]	medium	1
8-bromocyclic gmp, sodium salt	[no description available]	medium	2	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	2
cgp 52411	[no description available]	medium	1	phthalimides	geroprotector; tyrosine kinase inhibitor
aa 861	[no description available]	medium	1	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
bu 224	[no description available]	medium	1	quinolines
chloroquine	[no description available]	medium	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
ml 9	[no description available]	medium	1	naphthalenes; sulfonic acid derivative
pd 169316	[no description available]	medium	1	imidazoles
2-bromoergocryptine mesylate	[no description available]	medium	1	methanesulfonate salt	antiparkinson drug
salmeterol xinafoate	[no description available]	medium	1	naphthoic acid
finasteride	[no description available]	medium	1	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
eliprodil	[no description available]	medium	1	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
sertraline hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; serotonin uptake inhibitor
opipramol hydrochloride	[no description available]	medium	1
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	medium	2	ether; imidazoles; monomethoxybenzene	TRP channel blocker
u 78517f	[no description available]	medium	1
mk 912	[no description available]	medium	1
sk&f 86466	[no description available]	medium	1	benzazepine
w 7	[no description available]	medium	1
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine	[no description available]	medium	1
dizocilpine	[no description available]	medium	1	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
6-bromoindirubin-3'-oxime	[no description available]	medium	1
h 89	[no description available]	medium	8	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
phenylthiazolylthiourea	[no description available]	medium	1
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)	[no description available]	medium	1	benzimidazoles
tg 003	[no description available]	medium	1
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene	[no description available]	medium	1	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
quinine	[no description available]	medium	1	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
l 663536	[no description available]	medium	1	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
su 9516	[no description available]	medium	1
ml 10302	[no description available]	medium	1
ag 538	[no description available]	medium	1
bw b70c	[no description available]	medium	1	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
mg 624	[no description available]	medium	1
5-(4-phenylbutoxy)psoralen	[no description available]	medium	1	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride	[no description available]	medium	1
ro 8-4304	[no description available]	medium	1
sb 203186	[no description available]	medium	1
2-hydroxyapomorphine, (r)-isomer	[no description available]	medium	1
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	[no description available]	medium	1	hydrobromide	dopamine agonist; prodrug
cyclic gmp	[no description available]	medium	392	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
atrial natriuretic factor	[no description available]	medium	14	polypeptide
oxadiazoles	[no description available]	medium	776
quinoxalines	[no description available]	medium	776	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
pyrroles	[no description available]	medium	10	pyrrole; secondary amine
adenine	[no description available]	medium	20	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
9-(tetrahydro-2-furyl)-adenine	[no description available]	medium	18
tws 119	[no description available]	medium	1
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone	[no description available]	medium	1	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
acetovanillone	[no description available]	medium	2	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole	[no description available]	medium	17	benzoic acid; imidazolines; organic radical	apoptosis inhibitor; radical scavenger
2-aminoethoxydiphenyl borate	[no description available]	medium	2	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
ryanodine	[no description available]	medium	6
n-(3-(aminomethyl)benzyl)acetamidine	[no description available]	medium	7	aralkylamine; carboxamidine; primary amino compound	angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector
leucodin	[no description available]	medium	1	sesquiterpene lactone
achillin	[no description available]	medium	1
sesquiterpenes	[no description available]	medium	1
topiramate	[no description available]	medium	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
sumatriptan	[no description available]	medium	1	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
propranolol	[no description available]	medium	8	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
nitroglycerin	[no description available]	medium	21	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
kt 5720	[no description available]	medium	6	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
kt 5823	[no description available]	medium	38	gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound	EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor
ruthenium	[no description available]	medium	1	iron group element atom; platinum group metal atom
tetraethylammonium	[no description available]	medium	30	quaternary ammonium ion
kaempferol	[no description available]	medium	1	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
barium chloride	[no description available]	medium	6	barium salt; inorganic chloride	potassium channel blocker
fulvestrant	[no description available]	medium	1	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
iberiotoxin	[no description available]	medium	26
chlorine	[no description available]	medium	11	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hc-067047	[no description available]	medium	1
methoxamine	[no description available]	medium	2	amphetamines	alpha-adrenergic agonist; antihypotensive agent
mangostin	[no description available]	medium	1	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
trinitrobenzenesulfonic acid	[no description available]	medium	2	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
hydrazine	[no description available]	medium	32	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
1,1-diethyl-2-hydroxy-2-nitrosohydrazine	[no description available]	medium	23	organic anion
potassium chloride	[no description available]	medium	23	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
imatinib mesylate	[no description available]	medium	1	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
sildenafil citrate	[no description available]	medium	26	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
ellagic acid	[no description available]	medium	1	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
catechin	[no description available]	medium	4	catechin	antioxidant; plant metabolite
naloxone	[no description available]	medium	5	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
brl 15572	[no description available]	medium	1	hydrochloride	prodrug; serotonergic antagonist
indazoles	[no description available]	medium	52	indazole
2-piperidone	[no description available]	medium	1	delta-lactam; piperidones	EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
endothelin-1	[no description available]	medium	11
8-bromocyclic gmp	[no description available]	medium	93	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
2,2'-(hydroxynitrosohydrazono)bis-ethanamine	[no description available]	medium	24
bradykinin	[no description available]	medium	8	oligopeptide	human blood serum metabolite; vasodilator agent
sarpogrelate	[no description available]	medium	1	hemisuccinate; stilbenoid
pyrilamine	[no description available]	medium	3	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
amarogentin	[no description available]	medium	1	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite
arachidonic acid	[no description available]	medium	4	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	24
iridoids	[no description available]	medium	1
dexketoprofen trometamol	[no description available]	medium	1
tramadol	[no description available]	medium	1	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
tromethamine	[no description available]	medium	1	primary amino compound; triol	buffer
linsidomine	[no description available]	medium	36	morpholines
noc 18	[no description available]	medium	4
molsidomine	[no description available]	medium	36	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
protoporphyrin ix	[no description available]	medium	2
morphine	[no description available]	medium	3	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
dorzolamide	[no description available]	medium	2	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
thiophenes	[no description available]	medium	5	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
verapamil	[no description available]	medium	7	aromatic ether; nitrile; polyether; tertiary amino compound
carbenoxolone sodium	[no description available]	medium	1	triterpenoid
pimagedine	[no description available]	medium	8	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
ornithine	[no description available]	medium	7	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
n(g)-iminoethylornithine	[no description available]	medium	4	L-alpha-amino acid
nitrites	[no description available]	medium	26	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
linalool	[no description available]	medium	1	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
dinoprost	[no description available]	medium	7	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
bay 41-8543	[no description available]	medium	4	pyrazolopyridine
cadmium chloride	[no description available]	medium	1	cadmium coordination entity
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	4	naphthalenes; sulfonic acid derivative
isoproterenol	[no description available]	medium	15	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
8-((4-chlorophenyl)thio)cyclic-3',5'-gmp	[no description available]	medium	11	3',5'-cyclic purine nucleotide; aryl sulfide; organochlorine compound; ribonucleotide	protein kinase agonist
bay 63-2521	[no description available]	medium	1	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator
bay 58-2667	[no description available]	medium	9	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
cobalt	[no description available]	medium	1	cobalt group element atom; metal allergen	micronutrient
cobaltous chloride	[no description available]	medium	1	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
n(omega)-hydroxyarginine	[no description available]	medium	4	amino acid zwitterion; N(5)-[(E)-amino(hydroxyimino)methyl]ornithine; N(5)-[(hydroxyamino)(imino)methyl]ornithine; N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine; N(5)-[amino(hydroxyimino)methyl]-L-ornithine; N(5)-[amino(hydroxyimino)methyl]ornithine; N(omega)-hydroxy-L-arginine
dithiothreitol	[no description available]	medium	6	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
vardenafil dihydrochloride	[no description available]	medium	4
s-nitrosocysteine	[no description available]	medium	5	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
cysteine	[no description available]	medium	14	cysteinium	fundamental metabolite
diltiazem	[no description available]	medium	3	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
phenylephrine	[no description available]	medium	45	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
carbon monoxide	[no description available]	medium	28	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
nicorandil	[no description available]	medium	6	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
vasoactive intestinal peptide	[no description available]	medium	15
tanshinone	[no description available]	medium	1	abietane diterpenoid	anticoronaviral agent
phenanthrenes	[no description available]	medium	1
pyrithioxin	[no description available]	medium	1	methylpyridines
naltrexone	[no description available]	medium	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
procyanidin	[no description available]	medium	2	proanthocyanidin
luzindole	[no description available]	medium	1	acetamides; indoles	melatonin receptor antagonist
epigallocatechin gallate	[no description available]	medium	2	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
omega-n-methylarginine	[no description available]	medium	37	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
dinoprostone	[no description available]	medium	15	prostaglandins E	human metabolite; mouse metabolite; oxytocic
ici 204448	[no description available]	medium	1	monocarboxylic acid
sodium azide	[no description available]	medium	2	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
acetylcarnitine	[no description available]	medium	1	O-acylcarnitine	human metabolite
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	1	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
lysine	[no description available]	medium	3	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tadalafil	[no description available]	medium	5	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
lanthanum	[no description available]	medium	1	f-block element atom; lanthanoid atom; scandium group element atom
lanthanum chloride	[no description available]	medium	1
methylene blue	[no description available]	medium	27	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
tetrandrine	[no description available]	medium	1	bisbenzylisoquinoline alkaloid; isoquinolines
calcein am	[no description available]	medium	2	2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye	fluorochrome
erythrosine	[no description available]	medium	3
penicillamine	[no description available]	medium	65	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
s-nitro-n-acetylpenicillamine	[no description available]	medium	42
8-bromo cyclic adenosine monophosphate	[no description available]	medium	18	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
oxyhyponitrite	[no description available]	medium	5
nitroxyl	[no description available]	medium	5	nitrogen oxoacid
noc 9	[no description available]	medium	2
thiazoles	[no description available]	medium	5	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
hmr 1766	[no description available]	medium	1
heme	[no description available]	medium	10
zinc protoporphyrin ix	[no description available]	medium	7
triazoles	[no description available]	medium	7	1,2,3-triazole
desoxycorticosterone	[no description available]	medium	1	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
sodium arsenite	[no description available]	medium	2	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide
ha 1100	[no description available]	medium	1
phorbol 12,13-dibutyrate	[no description available]	medium	1	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	2	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
chelerythrine	[no description available]	medium	2	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
sb 203580	[no description available]	medium	6	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
serine	[no description available]	medium	6	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
natriuretic peptide, c-type	[no description available]	medium	9
natriuretic peptide, brain	[no description available]	medium	3	polypeptide
hesperidin	[no description available]	medium	1	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
enprostil	[no description available]	medium	1
pyrimidinones	[no description available]	medium	2
bis(p-chlorophenyl)acetic acid	[no description available]	medium	2	monocarboxylic acid; monochlorobenzenes
ddt	[no description available]	medium	2	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
cyclic adp-ribose	[no description available]	medium	1	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist
niacinamide	[no description available]	medium	4	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
salicylic acid	[no description available]	medium	2	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide	[no description available]	medium	8
6-anilino-5,8-quinolinedione	[no description available]	medium	18	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
glutamic acid	[no description available]	medium	9	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
isosorbide dinitrate	[no description available]	medium	2	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
isosorbide-5-mononitrate	[no description available]	medium	1	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
oxytocin	[no description available]	medium	5	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
ovalbumin	[no description available]	medium	3
angiotensin ii	[no description available]	medium	8	amino acid zwitterion; angiotensin II	human metabolite
arginine vasopressin	[no description available]	medium	1	vasopressin	cardiovascular drug; hematologic agent; mitogen
uroguanylin	[no description available]	medium	1
glycolipids	[no description available]	medium	1
hydroxylamine	[no description available]	medium	3	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
bisbenzimidazole	[no description available]	medium	1	bibenzimidazole; N-methylpiperazine	anthelminthic drug; fluorochrome
dimethyl sulfoxide	[no description available]	medium	4	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
substance p	[no description available]	medium	4	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
carbon tetrachloride	[no description available]	medium	1	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
3-nitrotyrosine	[no description available]	medium	2	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
tiopronin	[no description available]	medium	1	N-acyl-amino acid
tyrosine	[no description available]	medium	4	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
sapropterin	[no description available]	medium	2	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
dinitrochlorobenzene	[no description available]	medium	1	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
minocycline	[no description available]	medium	1
aminoglutethimide	[no description available]	medium	1	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
dactinomycin	[no description available]	medium	3	actinomycin	mutagen
monocrotaline	[no description available]	medium	1	pyrrolizidine alkaloid
nitrous oxide	[no description available]	medium	2	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
tetrodotoxin	[no description available]	medium	31	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
sincalide	[no description available]	medium	1	oligopeptide
inositol 1,4,5-trisphosphate	[no description available]	medium	1	myo-inositol trisphosphate	mouse metabolite
muromonab-cd3	[no description available]	medium	1	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite
oxazoles	[no description available]	medium	2	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
atorvastatin	[no description available]	medium	1	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
glucose, (beta-d)-isomer	[no description available]	medium	3	D-glucopyranose	epitope; mouse metabolite
nadp	[no description available]	medium	4
ketamine	[no description available]	medium	1	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
sodium nitrite	[no description available]	medium	6	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
clopidogrel	[no description available]	medium	2	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
ozone	[no description available]	medium	1	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
ticlopidine	[no description available]	medium	2	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
prasugrel hydrochloride	[no description available]	medium	1
s-nitroglutathione	[no description available]	medium	1
capillarisin	[no description available]	medium	1	coumarins
stilbenes	[no description available]	medium	4	stilbene
2,3,5,4'-tetrahydroxystilbene 2-o-glucopyranoside	[no description available]	medium	1
adrenomedullin	[no description available]	medium	3
peroxynitrous acid	[no description available]	medium	8	nitrogen oxoacid
arcaine	[no description available]	medium	1	guanidines
spermidine	[no description available]	medium	2	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
biguanides	[no description available]	medium	1	guanidines
cromakalim	[no description available]	medium	8
methionine	[no description available]	medium	1	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
metoprolol	[no description available]	medium	1	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
amiloride	[no description available]	medium	2	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
propane	[no description available]	medium	1	alkane; gas molecular entity	food propellant
glycerol	[no description available]	medium	1	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
nitrates	[no description available]	medium	19	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
brinzolamide	[no description available]	medium	1	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
s-methylisothiopseudouronium	[no description available]	medium	1
isothiuronium	[no description available]	medium	1
spermine	[no description available]	medium	15	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
calpeptin	[no description available]	medium	1	amino acid amide
cinnamyl alcohol	[no description available]	medium	1	cinnamyl alcohol	plant metabolite
y 27632	[no description available]	medium	3	aromatic amide
fasudil	[no description available]	medium	1	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
atropine	[no description available]	medium	16
dibutyryl cyclic gmp	[no description available]	medium	7
imipramine	[no description available]	medium	1	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
diclofenac	[no description available]	medium	5	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
barium	[no description available]	medium	3	alkaline earth metal atom; elemental barium
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	1	quinoxaline derivative
manumycin	[no description available]	medium	1	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
adenosine diphosphate	[no description available]	medium	5	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
dihydro-beta-erythroidine	[no description available]	medium	1	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
fluoxetine	[no description available]	medium	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
nicotine	[no description available]	medium	3	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
mecamylamine	[no description available]	medium	1	primary aliphatic amine
tubocurarine	[no description available]	medium	3	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
nisoxetine	[no description available]	medium	1	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
formaldehyde	[no description available]	medium	8	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
charybdotoxin	[no description available]	medium	22
ro 31-8220	[no description available]	medium	1	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
irl 1620	[no description available]	medium	1
salmfamide 1	[no description available]	medium	1
salmfamide 2	[no description available]	medium	1
s-nitrosocaptopril	[no description available]	medium	1
bilirubin	[no description available]	medium	1	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
pyrrolidine dithiocarbamate	[no description available]	medium	1	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
5-carboxamidotryptamine	[no description available]	medium	1	tryptamines
4-(3,4-dibutoxybenzyl)-2-imidazolidinone	[no description available]	medium	1
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester	[no description available]	medium	1
pilocarpine	[no description available]	medium	1	pilocarpine	antiglaucoma drug
gallic acid	[no description available]	medium	1	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
kn 93	[no description available]	medium	2	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
quinuclidines	[no description available]	medium	2	quinuclidines; saturated organic heterobicyclic parent
noc 7	[no description available]	medium	1
thiourea	[no description available]	medium	3	one-carbon compound; thioureas; ureas	antioxidant; chromophore
citrulline	[no description available]	medium	3	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
ditiocarb	[no description available]	medium	2	dithiocarbamic acids	chelator; copper chelator
bucladesine	[no description available]	medium	3	3',5'-cyclic purine nucleotide
neuropeptide y	[no description available]	medium	2
bethanechol	[no description available]	medium	1	carbamate ester; quaternary ammonium ion	muscarinic agonist
phosphatidylcholines	[no description available]	medium	1	1,2-diacyl-sn-glycero-3-phosphocholine
dichlororibofuranosylbenzimidazole	[no description available]	medium	1
sirolimus	[no description available]	medium	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
pyrimidine dimers	[no description available]	medium	1
nicardipine	[no description available]	medium	3	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	5
s-nitrosopenicillamine	[no description available]	medium	3
8-bromoguanosino-3',5'-cyclic monophosphorothioate	[no description available]	medium	10
dronabinol	[no description available]	medium	2	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol	[no description available]	medium	1
4-(3-3,4-p-menthadien-(1,8)-yl)olivetol	[no description available]	medium	1
mocetinostat	[no description available]	medium	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
histamine	[no description available]	medium	7	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
guanethidine	[no description available]	medium	3	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
9-anthroic acid	[no description available]	medium	2	anthroic acid
sg 209	[no description available]	medium	1	pyridinecarboxamide
pimaric acid	[no description available]	medium	1	diterpenoid
capsaicin	[no description available]	medium	7	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
rofecoxib	[no description available]	medium	1	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
uric acid	[no description available]	medium	2	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
xamoterol	[no description available]	medium	1	morpholines
suramin	[no description available]	medium	6	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
procaterol	[no description available]	medium	1	quinolines
enalapril	[no description available]	medium	1	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
uf 021	[no description available]	medium	1	isopropyl ester; ketone; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; prodrug
9-(2-hydroxy-3-nonyl)adenine	[no description available]	medium	2
icariin	[no description available]	medium	2	flavonols; glycosyloxyflavone	antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen
papaverine	[no description available]	medium	4	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	4	non-proteinogenic alpha-amino acid
cycloleucine	[no description available]	medium	1	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
toluene	[no description available]	medium	2	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
6-ketoprostaglandin f1 alpha	[no description available]	medium	1	prostaglandins Falpha	human metabolite; mouse metabolite
nsc 338720	[no description available]	medium	1
hydroxocobalamin	[no description available]	medium	1
vanoxerine	[no description available]	medium	1	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
brimonidine tartrate	[no description available]	medium	1
isoflurane	[no description available]	medium	1	organofluorine compound	inhalation anaesthetic
phentolamine	[no description available]	medium	3	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	1	polyamino carboxylic acid; tetracarboxylic acid	chelator
nitric acid	[no description available]	medium	3	nitrogen oxoacid	protic solvent; reagent
alanine	[no description available]	medium	1	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
cox 189	[no description available]	medium	1	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
margatoxin	[no description available]	medium	1
ranitidine	[no description available]	medium	1	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
alpha-methylhistamine	[no description available]	medium	1	aralkylamino compound; imidazoles	animal metabolite; H3-receptor agonist
calyculin a	[no description available]	medium	1
calmidazolium	[no description available]	medium	2	imidazolium ion	apoptosis inducer; calmodulin antagonist
clonazepam	[no description available]	medium	1	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
cgp 37157	[no description available]	medium	1	benzothiazepine
8-((4-chlorophenyl)thio)cyclic-3',5'-amp	[no description available]	medium	1	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound	protein kinase agonist
piperidines	[no description available]	medium	7
bq 610	[no description available]	medium	1
triethylene glycol dimethacrylate	[no description available]	medium	1
muramidase	[no description available]	medium	2
midazolam	[no description available]	medium	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
trequinsin	[no description available]	medium	1	pyridopyrimidine
cathepsin g	[no description available]	medium	1
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	3	tripeptide
dideoxyadenosine	[no description available]	medium	4	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor
2',5'-dideoxyadenosine	[no description available]	medium	1	deoxyribonucleoside
ethyl protocatechuate	[no description available]	medium	1	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite
deferoxamine	[no description available]	medium	2	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
6-aminonicotinamide	[no description available]	medium	1	aminopyridine; monocarboxylic acid amide; primary amino compound	antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	[no description available]	medium	1	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
pifithrin	[no description available]	medium	1	aromatic ketone
saralasin	[no description available]	medium	1	oligopeptide
biliverdine	[no description available]	medium	2
chromium	[no description available]	medium	1	chromium group element atom; metal allergen	micronutrient
pyrazines	[no description available]	medium	2	diazine; pyrazines	Daphnia magna metabolite
okadaic acid	[no description available]	medium	2	ketal
guanosine monophosphate	[no description available]	medium	3	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
nor 4	[no description available]	medium	1
gastrins	[no description available]	medium	1
papa nonoate	[no description available]	medium	1	alkylamine
butylidenephthalide	[no description available]	medium	1	isobenzofuranone
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	2	phenols; tertiary amino compound; tetralins	serotonergic antagonist
l 694247	[no description available]	medium	1	tryptamines
digitoxin	[no description available]	medium	1	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	medium	2	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
pyridoxal phosphate	[no description available]	medium	2	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
malondialdehyde	[no description available]	medium	1	dialdehyde	biomarker
11,12-epoxy-5,8,14-eicosatrienoic acid	[no description available]	medium	2	11,12-EET	human xenobiotic metabolite
8,9-epoxyeicosatrienoic acid	[no description available]	medium	1	EET	mouse metabolite
5,6-epoxy-8,11,14-eicosatrienoic acid	[no description available]	medium	1	EET	mouse metabolite
8,11,14-eicosatrienoic acid	[no description available]	medium	3	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
14,15-epoxy-5,8,11-eicosatrienoic acid	[no description available]	medium	2	long-chain fatty acid
pirenzepine	[no description available]	medium	2	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
1-butanol	[no description available]	medium	1	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	2	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
amthamine	[no description available]	medium	1	thiazoles
salvianolic acid B	[no description available]	medium	1	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
benzofurans	[no description available]	medium	1
guanosine triphosphate	[no description available]	medium	2	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
cytochrome c-t	[no description available]	medium	1
guanylin	[no description available]	medium	1
gea 3162	[no description available]	medium	2
2-methylthio-atp	[no description available]	medium	2
adenosine kinase	[no description available]	medium	1
diethylamine	[no description available]	medium	4	secondary aliphatic amine
pentaerythritol tetranitrate	[no description available]	medium	1	pentaerythritol nitrate	explosive; vasodilator agent
glyceryl 1,2-dinitrate	[no description available]	medium	1	dinitroglycerol; primary alcohol
trans-metanicotine	[no description available]	medium	1
sr 95531	[no description available]	medium	1	methoxybenzenes
celecoxib	[no description available]	medium	1	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
proline	[no description available]	medium	1	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
prolinedithiocarbamate	[no description available]	medium	1
8-bromo-beta-phenyl-1,n(2)-ethenoguanosine 3',5'-cyclic monophosphorothioate	[no description available]	medium	4
beta-escin	[no description available]	medium	2
astragaloside a	[no description available]	medium	1
cardiovascular agents	[no description available]	medium	1
dequalinium	[no description available]	medium	1	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
sr 140333	[no description available]	medium	1
zinc chloride	[no description available]	medium	1	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
warfarin	[no description available]	medium	1	benzenes; hydroxycoumarin; methyl ketone
coumarin	[no description available]	medium	1	coumarins	fluorescent dye; human metabolite; plant metabolite
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	1	stilbenoid
hydrogen carbonate	[no description available]	medium	2	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
leucine	[no description available]	medium	1	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
rp 73401	[no description available]	medium	1	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
transforming growth factor beta	[no description available]	medium	3
ly 274614	[no description available]	medium	1
anisomycin	[no description available]	medium	1	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
lithium	[no description available]	medium	1	alkali metal atom
adamantane	[no description available]	medium	2	adamantanes; polycyclic alkane
u 37883a	[no description available]	medium	2
biotin	[no description available]	medium	1	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
mannitol	[no description available]	medium	1	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
kb r7943	[no description available]	medium	1
stevioside	[no description available]	medium	1	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent
dimyristoylphosphatidylcholine	[no description available]	medium	1	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
manganese gtp	[no description available]	medium	1
xanthine	[no description available]	medium	2	xanthine	Saccharomyces cerevisiae metabolite
rmi 12330a	[no description available]	medium	4
ethidium	[no description available]	medium	1	phenanthridines	fluorochrome; intercalator
ethidium homodimer	[no description available]	medium	1
harmaline	[no description available]	medium	1	harmala alkaloid	oneirogen
glutathione disulfide	[no description available]	medium	1	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
pteridines	[no description available]	medium	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
iloprost	[no description available]	medium	1	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
w 7	[no description available]	medium	3
vanadates	[no description available]	medium	1	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
trimethaphan	[no description available]	medium	1	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
cyclic imp	[no description available]	medium	1	3',5'-cyclic purine nucleotide; nucleoside 3',5'-cyclic phosphate	mammalian metabolite; Saccharomyces cerevisiae metabolite
uridine triphosphate	[no description available]	medium	2	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
glycine	[no description available]	medium	2	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	2	non-proteinogenic alpha-amino acid	metabotropic glutamate receptor antagonist
acetyl-aspartyl-glutamyl-valyl-aspartal	[no description available]	medium	1	tetrapeptide	protease inhibitor
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	1
tetrapentylammonium	[no description available]	medium	1	quaternary ammonium ion
bathocuproine disulfonate	[no description available]	medium	1	arenesulfonic acid; phenanthrolines	chelator
1,7-phenanthroline	[no description available]	medium	2	phenanthroline
m40	[no description available]	medium	1
angiotensin i	[no description available]	medium	1	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
hippuryl-histidyl-leucine	[no description available]	medium	1
prazosin	[no description available]	medium	1	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
peroxynitric acid	[no description available]	medium	8	nitrogen oxoacid
alpha-chymotrypsin	[no description available]	medium	3
aldosterone	[no description available]	medium	2	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
pregnenolone	[no description available]	medium	1	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
thymidine	[no description available]	medium	2	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
urea	[no description available]	medium	2	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
putrescine	[no description available]	medium	1	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
diacetyldichlorofluorescein	[no description available]	medium	1
dihydropyridines	[no description available]	medium	2
manganese	[no description available]	medium	1	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
thimerosal	[no description available]	medium	1	alkylmercury compound	antifungal drug; antiseptic drug; disinfectant; drug allergen
thromboxane a2	[no description available]	medium	3	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
sq 29548	[no description available]	medium	1
adenylyl imidodiphosphate	[no description available]	medium	1	adenosine 5'-phosphate
20-hydroxy-5,8,11,14-eicosatetraenoic acid	[no description available]	medium	3	HETE; hydroxy monocarboxylic acid	human metabolite; mouse metabolite
17-octadecynoic acid	[no description available]	medium	1	acetylenic fatty acid; long-chain fatty acid; monounsaturated fatty acid; terminal acetylenic compound	EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor; EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor; P450 inhibitor
denatonium chloride	[no description available]	medium	1
strychnine	[no description available]	medium	1	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
interleukin-8	[no description available]	medium	1
25-hydroxycholesterol	[no description available]	medium	1	25-hydroxy steroid; oxysterol	human metabolite
tert-butylhydroperoxide	[no description available]	medium	1	alkyl hydroperoxide	antibacterial agent; oxidising agent
cystamine	[no description available]	medium	2	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
niacin	[no description available]	medium	2	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
deoxyglucose	[no description available]	medium	1
pituitrin	[no description available]	medium	1
gastrin-releasing peptide	[no description available]	medium	1
hydroxyl radical	[no description available]	medium	1	oxygen hydride; oxygen radical; reactive oxygen species
ddms	[no description available]	medium	1	chlorophenylethane; monochlorobenzenes
sb 200646	[no description available]	medium	1	indoles
hexacyanoferrate iii	[no description available]	medium	1
leukotriene b4	[no description available]	medium	1	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
pranidipine	[no description available]	medium	1
n-acetylpenicillamine	[no description available]	medium	1	N-acetyl-D-amino acid
tissue plasminogen activator	[no description available]	medium	1	alpha-amino acid
mobic	[no description available]	medium	1	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
n-acetylsphingosine	[no description available]	medium	1	N-acylsphingosine
evans blue	[no description available]	medium	1	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
adenosine-3',5'-cyclic phosphorothioate	[no description available]	medium	2	nucleoside 3',5'-cyclic phosphorothioate
talibegron hydrochloride	[no description available]	medium	1
cyanopindolol	[no description available]	medium	1	indoles
cgp 12177	[no description available]	medium	1	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
my 5445	[no description available]	medium	1	pyridazines; ring assembly
vasoactive intestinal peptide (10-28)	[no description available]	medium	2
zeneca zd 6169	[no description available]	medium	1
miconazole	[no description available]	medium	1	dichlorobenzene; ether; imidazoles
pentagastrin	[no description available]	medium	1	organic molecular entity
trazodone	[no description available]	medium	1	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
ro 60-0175	[no description available]	medium	1	indoles; organochlorine compound; organofluorine compound; primary amino compound
cirazoline	[no description available]	medium	1	aromatic ether
am 404	[no description available]	medium	2	anilide
glucosamine	[no description available]	medium	3	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
rig 200	[no description available]	medium	3
calcitriol	[no description available]	medium	1	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
d-alpha tocopherol	[no description available]	medium	1	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
adenosine monophosphate	[no description available]	medium	1	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
nip 121	[no description available]	medium	1
3-o-methylglucose	[no description available]	medium	1	D-aldohexose derivative
gliclazide	[no description available]	medium	1
bq 123	[no description available]	medium	1	cyclic peptide
afdx 116	[no description available]	medium	1	benzodiazepine
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	1	organic molecular entity
fura-2	[no description available]	medium	1
fura-2-am	[no description available]	medium	1
mesotocin	[no description available]	medium	1
ucn 1028 c	[no description available]	medium	1
sq-23377	[no description available]	medium	2	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
sodium nitrate	[no description available]	medium	1	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
2-amino-5,6-dihydro-6-methyl-4h-1,3-thiazine	[no description available]	medium	1	1,3-thiazine
hexamethonium	[no description available]	medium	2	quaternary ammonium salt
1,10-phenanthroline	[no description available]	medium	1	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
fibrinogen	[no description available]	medium	1	iditol	fungal metabolite
ono 3708	[no description available]	medium	1
n-(1-methyl-2-phenylethyl)adenosine	[no description available]	medium	1
quinazolines	[no description available]	medium	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
sr141716	[no description available]	medium	1	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
am 251	[no description available]	medium	1	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
anandamide	[no description available]	medium	2	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
s-nitroso-n-acetylcysteine	[no description available]	medium	1
transforming growth factor alpha	[no description available]	medium	1
mercaptoethanol	[no description available]	medium	1	alkanethiol; primary alcohol	geroprotector
kaliotoxin	[no description available]	medium	1
n,n'-bis(salicylideneamino)ethane-manganese(ii)	[no description available]	medium	1
ketorolac	[no description available]	medium	1	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
guanosine	[no description available]	medium	1	guanosines; purines D-ribonucleoside	fundamental metabolite
8-bromoguanosine	[no description available]	medium	1	purine nucleoside
cyanides	[no description available]	medium	1	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
kmup 1	[no description available]	medium	1
5,6-dimethylbenzimidazole	[no description available]	medium	1	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
texas red	[no description available]	medium	1	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	1	xanthene
am 281	[no description available]	medium	1	pyrazoles; ring assembly
am 630	[no description available]	medium	1	N-acylindole
phenylmethylsulfonyl fluoride	[no description available]	medium	1	acyl fluoride	serine proteinase inhibitor
am-356	[no description available]	medium	1	fatty amide
ha 1004	[no description available]	medium	1	isoquinolines
nitroaspirin	[no description available]	medium	1	carbonyl compound
thromboxane b2	[no description available]	medium	1	thromboxanes B	human metabolite; mouse metabolite
thromboplastin	[no description available]	medium	1
flurbiprofen	[no description available]	medium	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
clonidine	[no description available]	medium	1	clonidine; imidazoline
yohimbine	[no description available]	medium	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
oxidopamine	[no description available]	medium	1	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
probenecid	[no description available]	medium	1	benzoic acids; sulfonamide	uricosuric drug
cesium	[no description available]	medium	1	alkali metal atom
atrial natriuretic factor (4-23)nh2, de-gln(18)-de-ser(19)-de-gly(20,22)-de-leu(21)-	[no description available]	medium	1
nickel	[no description available]	medium	1	metal allergen; nickel group element atom	epitope; micronutrient
monorden	[no description available]	medium	1	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
amitrole	[no description available]	medium	1	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
cyanamide	[no description available]	medium	1	nitrile; one-carbon compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
isosorbide	[no description available]	medium	1	organic molecular entity
tetramethylpyrazine	[no description available]	medium	1	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent

Article	Year
Neuroprotective mechanisms of minocycline against sphingomyelinase/ceramide toxicity: Roles of Bcl-2 and thioredoxin. Free radical biology & medicine, Mar-15, Volume: 50, Issue: 6	2011
In vivo assessment of safety and mechanisms underlying in vitro relaxation induced by Mikania laevigata Schultz Bip. ex Baker in the rat trachea. Journal of ethnopharmacology, Jul-25, Volume: 112, Issue: 3	2007
Heme oxygenase-1 mediates cytoprotection against nitric oxide-induced cytotoxicity via the cGMP pathway in human pulp cells. Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics, Volume: 102, Issue: 6	2006
Kinetic characterization of the nitric oxide toxicity for PC12 cells: effect of half-life time of NO release. European journal of pharmacology, May-26, Volume: 397, Issue: 1	2000
Different signalling pathways mediate the opposite effects of endogenous versus exogenous nitric oxide on hydroperoxide toxicity in CHP100 neuroblastoma cells. Journal of neurochemistry, Volume: 73, Issue: 4	1999
Neuroprotective effects of DETA-NONOate, a nitric oxide donor, on hydrogen peroxide-induced neurotoxicity in cortical neurones. Neuropharmacology, Volume: 38, Issue: 9	1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Antihypertensive effect of biotin in stroke-prone spontaneously hypertensive rats. The British journal of nutrition, Volume: 99, Issue: 4	2008
In vivo assessment of safety and mechanisms underlying in vitro relaxation induced by Mikania laevigata Schultz Bip. ex Baker in the rat trachea. Journal of ethnopharmacology, Jul-25, Volume: 112, Issue: 3	2007
Novel S-nitrosothiols do not engender vascular tolerance and remain effective in glyceryltrinitrate-tolerant rat femoral arteries. European journal of pharmacology, Nov-24, Volume: 408, Issue: 3	2000
Novel S-nitrosothiols do not engender vascular tolerance and remain effective in glyceryl trinitrate-tolerant rat femoral arteries. European journal of pharmacology, Sep-01, Volume: 403, Issue: 1-2	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Human trabecular meshwork cell volume decrease by NO-independent soluble guanylate cyclase activators YC-1 and BAY-58-2667 involves the BKCa ion channel. Investigative ophthalmology & visual science, Volume: 50, Issue: 7	2009
Teleantagonism: A pharmacodynamic property of the primary nociceptive neuron. Proceedings of the National Academy of Sciences of the United States of America, Dec-09, Volume: 105, Issue: 49	2008
NO-induced regulation of human trabecular meshwork cell volume and aqueous humor outflow facility involve the BKCa ion channel. American journal of physiology. Cell physiology, Volume: 294, Issue: 6	2008
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The sGC activator BAY 60-2770 has potent erectile activity in the rat. American journal of physiology. Heart and circulatory physiology, Jun-15, Volume: 304, Issue: 12	2013
Reversal of inducible nitric oxide synthase uncoupling unmasks tolerance to ischemia/reperfusion injury in the diabetic rat heart. Journal of molecular and cellular cardiology, Volume: 50, Issue: 3	2011
Increased adhesive properties of neutrophils in sickle cell disease may be reversed by pharmacological nitric oxide donation. Haematologica, Volume: 93, Issue: 4	2008
The release of nitric oxide from S-nitrosothiols promotes angiogenesis. PloS one, Dec-20, Volume: 1	2006
Activation of the cGMP signaling pathway is essential in delaying oocyte aging in diabetes mellitus. Biochemistry, Sep-26, Volume: 45, Issue: 38	2006
Platelet aggregation profile as a marker of hydroxyurea bioavailability through nitric oxide generation in chronic myelogenous leukemia. Leukemia & lymphoma, Volume: 47, Issue: 4	2006
Treatment with CO-RMs during cold storage improves renal function at reperfusion. Kidney international, Volume: 69, Issue: 2	2006
Knockdown of arginase I restores NO signaling in the vasculature of old rats. Hypertension (Dallas, Tex. : 1979), Volume: 47, Issue: 2	2006
Sildenafil citrate and sildenafil nitrate (NCX 911) are potent inhibitors of superoxide formation and gp91phox expression in porcine pulmonary artery endothelial cells. British journal of pharmacology, Volume: 146, Issue: 1	2005
Nitric oxide and cGMP-dependent protein kinase regulation of glucose-mediated thrombospondin 1-dependent transforming growth factor-beta activation in mesangial cells. The Journal of biological chemistry, Mar-22, Volume: 277, Issue: 12	2002
N-acetyl-L-cysteine exerts direct anti-aggregating effect on human platelets. European journal of clinical investigation, Volume: 31, Issue: 5	2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Involvement of a NO-cyclic GMP-PKG signaling pathway in nitrous oxide-induced antinociception in mice. European journal of pharmacology, Mar-11, Volume: 654, Issue: 3	2011
Vardenafil protects isolated rat hearts at reperfusion dependent on GC and PKG. British journal of pharmacology, Volume: 154, Issue: 1	2008
Rat mesenteric arterial dilator response to 11,12-epoxyeicosatrienoic acid is mediated by activating heme oxygenase. American journal of physiology. Heart and circulatory physiology, Volume: 291, Issue: 4	2006
Nitric oxide and sodium nitroprusside-induced relaxation of the human umbilical artery. British journal of pharmacology, Volume: 131, Issue: 3	2000
Characterization of the off response to electrical field stimulation in gallbladder smooth muscle. The Journal of surgical research, Volume: 88, Issue: 1	2000
Role of endothelial carbon monoxide in attenuated vasoreactivity following chronic hypoxia. The American journal of physiology, Volume: 275, Issue: 4	1998
Evidence for a cyclic GMP-independent mechanism in the anti-platelet action of S-nitrosoglutathione. British journal of pharmacology, Volume: 124, Issue: 1	1998
Responses of carotid artery in mice deficient in expression of the gene for endothelial NO synthase. The American journal of physiology, Volume: 274, Issue: 2	1998
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one

Description

Cross-References

Synonyms (66)

Roles (1)

Drug Classes (1)

Protein Targets (49)

Potency Measurements

Ceullar Components (1)

Bioassays (29)

Research

Studies (772)

Study Types

Research Highlights

Safety/Toxicity (6)

Long-term Use (4)

Pharmacokinetics (3)

Bioavailability (11)

Dosage (8)